Molecule card · MolClass #36287
4263954
4263954: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 4263954Mitochondrial Fusion · compound_name
- MolClass ID
- 36287
- InChIKey
- UQCMJGBPQQMKIO-UHFFFAOYSA-N
- Canonical SMILES
- CC1=CSC2=NC(=O)C(=NN12)c3ccccc3(N)
- Standard InChI
- InChI=1S/C12H10N4OS/c1-7-6-18-12-14-11(17)10(15-16(7)12)8-4-2-3-5-9(8)13/h2-6H,13H2,1H3
- Stored Murcko scaffold
- N=1[CH]C(=NN2C=CSC12)c3ccccc3
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 96.35 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 258.301 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.113
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Mitochondrial Fusion
Dataset #19 · 4263954